(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H14F2N2O — CID 24968606

IUPAC(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2N2O/c1-7(2-11-6-17-12(15)16-11)8-3-9(13)5-10(14)4-8/h3-5,7,11H,2,6H2,1H3,(H2,15,16)/t7?,11-/m0/s1
InChIKeyRZZVEOAOEDLOCK-QRIDDKLISA-N
MW240.25 g/mol
LogP2.17
Rot. Bonds3

About (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24968606) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24968606
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2N2O/c1-7(2-11-6-17-12(15)16-11)8-3-9(13)5-10(14)4-8/h3-5,7,11H,2,6H2,1H3,(H2,15,16)/t7?,11-/m0/s1
InChIKeyRZZVEOAOEDLOCK-QRIDDKLISA-N
XLogP2.17
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24968606) is (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1.
What is the InChIKey of (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RZZVEOAOEDLOCK-QRIDDKLISA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7(2-11-6-17-12(15)16-11)8-3-9(13)5-10(14)4-8/h3-5,7,11H,2,6H2,1H3,(H2,15,16)/t7?,11-/m0/s1.
What are the key properties of (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 240.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24968606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).